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- W1568573506 abstract "The computation of dispersive site energy shifts due to van der Waals interaction (London dispersion forces) was combined with mixed quantum-classical methodology to calculate the linear optical absorption spectra of large pheophorbide a (Pheo) dendrimers. The computed spectra agreed very well with the measurements considering three characteristic optical features occurring with increasing aggregate size: a strong line broadening, a redshift, and a low-energy shoulder. The improved mixed quantum-classical methodology is considered a powerful tool in investigating molecular aggregates." @default.
- W1568573506 created "2016-06-24" @default.
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- W1568573506 date "2015-08-13" @default.
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- W1568573506 title "How Van der Waals Interactions Influence the Absorption Spectra of Pheophorbide<i>a</i>Complexes: A Mixed Quantum-Classical Study" @default.
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- W1568573506 doi "https://doi.org/10.1002/cphc.201500326" @default.
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